9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione

C12H19N5O3 — CID 82463817

IUPAC9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione
SMILESCNCc1nc2c(=O)n(C)c(=O)n(C)c2n1CCOC
InChIInChI=1S/C12H19N5O3/c1-13-7-8-14-9-10(17(8)5-6-20-4)15(2)12(19)16(3)11(9)18/h13H,5-7H2,1-4H3
InChIKeyXKGLPBUDLWNLDP-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.20
Rot. Bonds5

About 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione

9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione (PubChem CID 82463817) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione.

Molecular Properties

Compound Name9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione
PubChem CID82463817
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione
SMILESCNCc1nc2c(=O)n(C)c(=O)n(C)c2n1CCOC
InChIInChI=1S/C12H19N5O3/c1-13-7-8-14-9-10(17(8)5-6-20-4)15(2)12(19)16(3)11(9)18/h13H,5-7H2,1-4H3
InChIKeyXKGLPBUDLWNLDP-UHFFFAOYSA-N
XLogP-1.20
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(3-aminopropylamino)-9-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
CID 82463819
1-ethyl-3-(2-methoxyethyl)-7-methyl-8-(methylaminomethyl)purine-2,6-dione
CID 82465054
1,3-dimethyl-8-(methylamino)-9-propylpurine-2,6-dione
CID 82463756
8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione
CID 82463698
8-(bromomethyl)-1,3,9-trimethylpurine-2,6-dione
CID 82463686
8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
CID 82463751
2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 51190516
1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione
CID 82463865
3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione
CID 82465013
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 6462253
8-amino-9-butyl-1,3-dimethylpurine-2,6-dione
CID 82463788

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione?
The IUPAC name of 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione (CID 82463817) is 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione.
What is the SMILES notation for 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione?
The canonical SMILES for 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione is CNCc1nc2c(=O)n(C)c(=O)n(C)c2n1CCOC.
What is the InChIKey of 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione?
The InChIKey is XKGLPBUDLWNLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-13-7-8-14-9-10(17(8)5-6-20-4)15(2)12(19)16(3)11(9)18/h13H,5-7H2,1-4H3.
What are the key properties of 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione?
9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione has a molecular weight of 281.32 g/mol, XLogP of -1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione is sourced from PubChem (CID 82463817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).